| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2022-09-07 14:36:44 UTC |
|---|
| Updated at | 2022-09-07 14:36:44 UTC |
|---|
| NP-MRD ID | NP0251420 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | 2,10-dihydroxy-16-(hydroxymethyl)-1,7,9-trimethyl-13,17-dioxapentacyclo[9.5.2.0³,¹⁴.0⁵,¹⁸.0¹⁴,¹⁸]octadec-10-ene-6,12-dione |
|---|
| Description | 2,10-Dihydroxy-16-(hydroxymethyl)-1,7,9-trimethyl-13,17-dioxapentacyclo[9.5.2.0³,¹⁴.0⁵,¹⁸.0¹⁴,¹⁸]Octadec-10-ene-6,12-dione belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Based on a literature review very few articles have been published on 2,10-dihydroxy-16-(hydroxymethyl)-1,7,9-trimethyl-13,17-dioxapentacyclo[9.5.2.0³,¹⁴.0⁵,¹⁸.0¹⁴,¹⁸]Octadec-10-ene-6,12-dione. |
|---|
| Structure | CC1CC(C)C(O)=C2C(=O)OC34CC(CO)C5(C)OC23C(CC4C5O)C1=O InChI=1S/C20H26O7/c1-8-4-9(2)15(23)13-17(25)26-19-6-10(7-21)18(3)16(24)12(19)5-11(14(8)22)20(13,19)27-18/h8-12,16,21,23-24H,4-7H2,1-3H3 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C20H26O7 |
|---|
| Average Mass | 378.4210 Da |
|---|
| Monoisotopic Mass | 378.16785 Da |
|---|
| IUPAC Name | 2,10-dihydroxy-16-(hydroxymethyl)-1,7,9-trimethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione |
|---|
| Traditional Name | 2,10-dihydroxy-16-(hydroxymethyl)-1,7,9-trimethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CC1CC(C)C(O)=C2C(=O)OC34CC(CO)C5(C)OC23C(CC4C5O)C1=O |
|---|
| InChI Identifier | InChI=1S/C20H26O7/c1-8-4-9(2)15(23)13-17(25)26-19-6-10(7-21)18(3)16(24)12(19)5-11(14(8)22)20(13,19)27-18/h8-12,16,21,23-24H,4-7H2,1-3H3 |
|---|
| InChI Key | OEVGTEZGSWWQLP-UHFFFAOYSA-N |
|---|
| Experimental Spectra |
|---|
|
| Not Available | | Predicted Spectra |
|---|
|
| Not Available | | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | Not Available |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Furopyrans |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Furopyrans |
|---|
| Alternative Parents | |
|---|
| Substituents | - Furopyran
- Oxepane
- Pyran
- Oxane
- Gamma butyrolactone
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Furan
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Ketone
- Carboxylic acid ester
- Oxacycle
- Monocarboxylic acid or derivatives
- Ether
- Enol
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aliphatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|